ChemSpider 2D Image | (2S,5S,8S,11R)-11-Benzyl-4-[(2,5-dimethylphenyl)acetyl]-8-isopropyl-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.1~2,5~]nonadeca-15(18),16-diene-6,9,12-trione | C32H39N7O4

(2S,5S,8S,11R)-11-Benzyl-4-[(2,5-dimethylphenyl)acetyl]-8-isopropyl-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID62730798
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,5S,8S,11R)-11-Benzyl-4-[(2,5-dimethylphenyl)acetyl]-8-isopropyl-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-dien-6,9,12-trion [German] [ACD/IUPAC Name]
(2S,5S,8S,11R)-11-Benzyl-4-[(2,5-dimethylphenyl)acetyl]-8-isopropyl-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione [ACD/IUPAC Name]
(2S,5S,8S,11R)-11-Benzyl-4-[2-(2,5-diméthylphényl)acétyl]-8-isopropyl-1,4,7,10,13,16,17-heptaazatricyclo[13.2.1.12,5]nonadéca-15(18),16-diène-6,9,12-trione [French] [ACD/IUPAC Name]
1,4,7,10,13,16,17-Heptaazatricyclo[13.2.1.12,5]nonadeca-15(18),16-diene-6,9,12-trione, 4-[2-(2,5-dimethylphenyl)acetyl]-8-(1-methylethyl)-11-(phenylmethyl)-, (2S,5S,8S,11R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 163.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.88
ACD/KOC (pH 5.5): 216.73
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.88
ACD/KOC (pH 7.4): 216.73
Polar Surface Area: 138 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 434.9±7.0 cm3

Click to predict properties on the Chemicalize site






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